Study epitazially strained KNbO3/NaNbO3 superlattice using first-principle’s calculations

摘要：

The changes of crystal structure, zonecenter phonon, polarization and dielectric constant with epitaxial strain in KNbO3/NaNbO3 (KNO/NNO) superlattice have been studied using density functional theory (DFT) within the local-density approximation (LDA). Strain induced structural phase transitions have been identified from tetragonal to monoclinic then to orthorhombic when the in plane misfit strain changes from -1.25% to -0.1%. The polarization amplitude is the highest in the orthorhombic phase, reaching more than 70μC/cm2, and the dielectric constant peaks at the phase boundaries.

作者: Zhanfang Li Tianquan Lü Wenwu Cao

作者单位: Department of Physics,Jilin University,Changchun 130023,China Materials Research Institute,The Penns Department of Physics,Jilin University,Changchun 130023,China Materials Research Institute,The Pennsylvania State University,University Park,Pennsylvania 16802,US

会议类型: 国际会议

会议名称: 2009 The 18th IEEE International Symposium on Applications of Ferroelectrics(2009年国际铁电学暨IEEE国际铁电应用联合会议)

会议地点: 西安

会议语种:英文

页码: 18-22

在线出版日期: 2009-08-23（万方平台首次上网日期，不代表论文的发表时间）